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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:22 UTC
Update Date2025-03-25 00:55:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211407
Frequency0.5
Structure
Chemical FormulaC12H15NO3
Molecular Mass221.1052
SMILESCC(=O)Nc1ccc(C(C)C(=O)O)cc1C
InChI KeyFQLADJRAYLEISC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • acetanilides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • acetanilide
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene
  • acetamide
  • organooxygen compound